5-amino-N-(4-bromophenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(4-bromophenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(4-bromophenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0783 |
| Compound Name: | 5-amino-N-(4-bromophenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C18 H17 Br N6 O3 |
| Smiles: | COc1ccc(cc1)NC(Cn1c(c(C(Nc2ccc(cc2)[Br])=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.505 |
| logD: | 2.5047 |
| logSw: | -2.8983 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.981 |
| InChI Key: | DIKPSDUWHODJMH-UHFFFAOYSA-N |